2-(1-adamantyl)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]ethanone Formula: C21H31N2O2+ MolecularWeight: 343.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N2O2/c24-20(14-21-11-16-8-17(12-21)10-18(9-16)13-21)23-5-3-22(4-6-23)15-19-2-1-7-25-19/h1-2,7,16-18H,3-6,8-15H2/p+1